AG00E9R6

57476-50-3 | tert-Butyl 3-formyl-1H-indole-1-carboxylate

AG00E9R6

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CAS Number	57476-50-3
Catalog Number	AG00E9R6(AGN-PC-0KKQAM)
Chemical Name	tert-Butyl 3-formyl-1H-indole-1-carboxylate
IUPAC Name	tert-butyl 3-formylindole-1-carboxylate
InChI	InChI=1S/C14H15NO3/c1-14(2,3)18-13(17)15-8-10(9-16)11-6-4-5-7-12(11)15/h4-9H,1-3H3
InChI Key	GDYHUGFAKMUUQL-UHFFFAOYSA-N
MDL Number	MFCD00049230
Molecular Formula	C14H15NO3
Molecular Weight	245.2738
SMILES	C1=C(C2=C([N]1C(OC(C)(C)C)=O)C=CC=C2)C=O
Synonyms	1-Boc-3-Formylindole, 57476-50-3, tert-butyl 3-formyl-1H-indole-1-carboxylate, tert-butyl 3-formylindole-1-carboxylate, TERT-BUTYL3-FORMYL-1H-INDOLE-1-CARBOXYLATE, AK-16419, 3-formyl-indole-1-carboxylic acid tert-butyl ester, tert-butyl 3-formylindolecarboxylate, 1H-INDOLE-1-CARBOXYLIC ACID, 3-FORMYL-, 1,1-DIMETHYLETHYL ESTER, ACMC-209lyd, AC1MC9XJ, butylformylindolecarboxylate, KSC496Q2L, N-Boc-indole-3-carboxaldehyde, SCHEMBL3533644, 1-N-Boc-indole-3-carbaldehyde, CHEMBL3622755, CTK3J6825, DTXSID10377477, 1-t-butoxycarbonyl-3-formylindole, GDYHUGFAKMUUQL-UHFFFAOYSA-N, ZINC153445, ALBB-016768, BCP26869, KS-00000K5M, ZX-AN015457, ZX-AT004049, AB2740, ANW-32723, MFCD00049230, OR1671, SBB059070, AKOS005071300, 3-Formyl-1H-indole, N-BOC protected, CB-3632, FCH1619431, MB00438, MCULE-5368513887, RP13998, RTR-020060, 1-(tert-butyloxycarbonyl)-3-formylindole, AJ-12982, AN-16266, BP-11116, BR-16419, CC-34731, ZB005446, AB0025596, AX8029095, DB-001926, ST2415176, TR-020060, 1-(tert-Butoxycarbonyl)-3-formyl-1H-indole, 4CH-013060, AM20061004, CS-0031417, FT-0640459, ST51043359, W7085, 9P-905, A15663, S-1428, 3-formyl-indole-1-carboxylic acid t-butyl ester, 3-formyl-indole-1-carboxylic acid-tert-butylester, C-24978, J-524540, I14-15683, F2158-2278, 3-FORMYLINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, C14H15NO3, ZINC00153445, CID2764519, Indole-3-carboxaldehyde, N-BOC protected,

Complexity	334
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.105g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	245.278g/mol
Monoisotopic Mass	245.105g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	48.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H332-H335
Precuationary statements	P261-P280-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number